8B-082
TL;DR: 8B-082 (CAS 339020-83-6) is a chemical compound with molecular formula C18H22N6O5 and molecular weight 402.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[1-methyl-6-(methylamino)-3,5-dinitro-4H-pyridin-2-yl]piperazin-1-yl]-phenylmethanone
Also Known As: 8B-082, {4-[1-methyl-6-(methylamino)-3,5-dinitro-1,4-dihydro-2-pyridinyl]piperazino}(phenyl)methanone, [4-[1-methyl-6-(methylamino)-3,5-dinitro-4H-pyridin-2-yl]piperazin-1-yl]-phenylmethanone, 6-(4-benzoylpiperazin-1-yl)-N,1-dimethyl-3,5-dinitro-1,4-dihydropyridin-2-amine, [4-(1-methyl-6-methylamino-3,5-dinitro-4H-pyridin-2-yl)piperazin-1-yl]-phenyl-methanone
| Molecular Formula | C18H22N6O5 |
|---|---|
| Molecular Weight | 402.17 g/mol |
| LogP | 0.8909 |
| Topological Polar Surface Area | 125.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.16516 |
| Heavy Atoms | 29 |
| Complexity | 889.2626 |
Chemical Identifiers
| CAS Number | 339020-83-6 |
|---|---|
| SMILES | CNC1=C(CC(=C(N1C)N2CCN(CC2)C(=O)C3=CC=CC=C3)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
8B-082 (CAS 339020-83-6), with molecular formula C18H22N6O5 and molecular weight 402.17 g/mol. IUPAC: [4-[1-methyl-6-(methylamino)-3,5-dinitro-4H-pyridin-2-yl]piperazin-1-yl]-phenylmethanone.
Chemical Property Profile of 8B-082
Property Insights of 8B-082
The XLogP value of 0.8909 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8B-082. The TPSA of 125.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 8B-082. Following Lipinski's Rule of Five, 8B-082 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8B-082?
The CAS number of 8B-082 is 339020-83-6.
What is the molecular formula of 8B-082?
The molecular formula of 8B-082 is C18H22N6O5.
What is the molecular weight of 8B-082?
The molecular weight of 8B-082 is 402.17 g/mol.
Where can I buy 8B-082?
You can request a quote for 8B-082 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8B-082?
Yes, KEHONG BIO provides custom synthesis services for 8B-082 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.